Benzene, 1-isocyanato-3-methyl-

• Formula: C₈H₇NO
• Molecular weight: 133.1473
• IUPAC Standard InChI: InChI=1S/C8H7NO/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3 Copy

  
• IUPAC Standard InChIKey: CPPGZWWUPFWALU-UHFFFAOYSA-N Copy
• CAS Registry Number: 621-29-4
• Chemical structure:
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• Other names: m-Isocyanatotoluene; Isocyanic acid, m-tolyl ester; m-Methylphenyl isocyanate; 3-Methylphenyl isocyanate; m-Tolyl isocyanate; 3-Tolyl isocyanate
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• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
  • IR Spectrum
  • Mass spectrum (electron ionization)
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Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Neijzen and DeLange, 1980
Neijzen, B.J.M.; DeLange, C.A., Photoelectron spectroscopy of some thiocyanates, isocyanates and isothiocyanates, J. Electron Spectrosc. Relat. Phenom., 1980, 18, 179. [all data]

Kobayashi and Nagakura, 1975
Kobayashi, T.; Nagakura, S., Photoelectron spectra of phenyl isocyanates and phenyl isothio- cyanate, J. Electron Spectrosc. Relat. Phenom., 1975, 7, 488. [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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